1272754-87-6
Product Name:
METHYL 3,3,3-TRIFLUORO-N-(METHYLSULFONYL)-2-THIEN-2-YLALANINATE
Formula:
C9H10F3NO4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.3 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 317.00033463 g/mol |
| Monoisotopic Mass | 317.00033463 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 445 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |